HR: 1340h
AN: IN43B-0336    [Abstracts]
TI: VLab: A Grid for Planetary Materials Computations
AU: * da Silva, C R
EM: cesards@msi.umn.edu
AF: University of Minnesota, Minnesota Supercomputing Institute 117 Pleasant St. SE, Minneapolis, MN 55414 United States
AU: Erlebacher, G
EM: erlebach@csit.fsu.edu
AF: Florida State University, 489 Dirac Science Library, Tallahassee, FL 32306-4120 United States
AU: Pierce, M
EM: mpierce@cs.indiana.edu
AF: Indiana University, Community Grids Lab 501 N. Morton St., Bloomington, IN 47404 United States
AU: Karki, B
EM: karki@bit.csc.lsu.edu
AF: Louisiana State University, Department of Computer Science 283 Coates Hall, Baton Rouge, LA 70803 United States
AU: Yuen, D A
EM: davey@krissy.geo.umn.edu
AF: University of Minnesota, Dept. of Geology and Geophysics 23 Pillsbury Hall, Minneapolis, MN 55455 United States
AU: Wentzcovitch, R M
EM: wentzcov@cems.umn.edu
AF: University of Minnesota, Dept. Chem. Eng. Mat. Sci. 421 Washington Avenue SE, Minneapolis, MN 55414 United States
AB: Computational studies of planetary materials have grown tremendously in complexity in the last decade. A typical first principles high PT elasticity calculation is a time consuming procedure involving hundreds to thousands of job submissions and runs. These numerous runs result from parameter space sampling (phonons, pressures, strains, composition, etc) following a well defined workflow. However, most runs can be decoupled with little or no overhead and scheduled for concurrent execution on distributed systems. In addition, human intervention can be minimized by automating workflow executions. We describe a dedicated grid to prepare, submit, monitor, and analyze runs' results. The back-end is a collection of web-services providing access to distributed computing nodes, controlling workflow execution, monitoring services, and providing data analyses tools, visualization services, data bases, and authentication services. The front-end consists of second generation portals interfacing users with the underlying grid and providing a consistent abstraction of the entire collection of services as a single system. The presentation layer makes extensive use of portlets. They can be tailored to fit the required task granularity on both front- and back-end sides, and to provide a well structured user interface. Narada-Brokering is used as the middleware to provide abstractions for locations and availability of back-end services and persistence/fault tolerance.
UR: http://www.vlab.msi.umn.edu/
DE: 0525 Data management
DE: 0545 Modeling (4255)
DE: 0560 Numerical solutions (4255)
DE: 0599 General or miscellaneous
SC: Earth and Space Science Informatics [IN]
MN: Fall Meeting 2005